Structure of PDB 4wn9 Chain A

Receptor sequence

>4wn9A (length=517) Species: 1501 (Clostridium pasteurianum)

NLKDEILEKYIPKTKKTRSGHIVIKTEETPNPEIVANTRTVPGIITARGC
AYAGCKGVVMGPIKDMVHITHGPIGCSFYTWGGRRFKSKPENGTGLNFNE
YVFSTDMQESDIVFGGVNKLKDAIHEAYEMFHPAAIGVYATCPVGLIGDD
ILAVAATASKEIGIPVHAFSCEGYKGVSQSAGHHIANNTVMTDIIGKGNK
EQKKYSINVLGEYNIGGDAWEMDRVLEKIGYHVNATLTGDATYEKVQNAD
KADLNLVQCHRSINYIAEMMETKYGIPWIKCNFIGVDGIVETLRDMAKCF
DDPELTKRTEEVIAEEIAAIQDDLDYFKEKLQGKTACLYVGGSRSHTYMN
MLKSFGVDSLVAGFEFAHRDDYEGREVIPTIKIDADSKNIPEITVTPDEQ
KYRVVIPEDKVEELKKAGVPLSSYGGMMKEMHDGTILIDDMNHHDMEVVL
EKLKPDMFFAGIKEKFVIQKGGVLSKQLHSYDYNGPYAGFRGVVNFGHEL
VNGIYTPAWKMITPPWK

3D structure

• PDB: 4wn9 Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C53 A56 R87 H186
• Catalytic site (residue number reindexed from 1): C50 A53 R84 H183
• Enzyme Commision number: 1.18.6.1: nitrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ICS	A	V61 R87 H186 Y216 C262 S265 G344 G345 S346 R347 F369 H482	V58 R84 H183 Y213 C259 S262 G341 G342 S343 R344 F366 H479
BS02	CLF	A	C53 Y55 P76 G78 C79 T144 C145 G176	C50 Y52 P73 G75 C76 T141 C142 G173

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016163 nitrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding

Biological Process

• GO:0009399 nitrogen fixation

Cellular Component

• GO:0016612 molybdenum-iron nitrogenase complex

External links

• PDB: RCSB:4wn9, PDBe:4wn9, PDBj:4wn9
• PDBsum: 4wn9
• PubMed: 25710326
• UniProt: P00467|NIFD_CLOPA Nitrogenase molybdenum-iron protein alpha chain (Gene Name=nifD)